# generated using pymatgen
data_Ca20(Ga3Sn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00501026
_cell_length_b   8.00501026
_cell_length_c   14.87722112
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20(Ga3Sn)3
_chemical_formula_sum   'Ca20 Ga9 Sn3'
_cell_volume   953.33514428
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.68074974  0.17484518  0.10828346  1.0
  Ca  Ca1  1  0.17958387  0.67824094  0.61148381  1.0
  Ca  Ca2  1  0.31925026  0.82515482  0.10828346  1.0
  Ca  Ca3  1  0.82041613  0.32175906  0.61148381  1.0
  Ca  Ca4  1  0.82515482  0.68074974  0.10828346  1.0
  Ca  Ca5  1  0.32175906  0.17958387  0.61148381  1.0
  Ca  Ca6  1  0.17484518  0.31925026  0.10828346  1.0
  Ca  Ca7  1  0.67824094  0.82041613  0.61148381  1.0
  Ca  Ca8  1  0.82515482  0.31925026  0.89171654  1.0
  Ca  Ca9  1  0.32175906  0.82041613  0.38851619  1.0
  Ca  Ca10  1  0.17484518  0.68074974  0.89171654  1.0
  Ca  Ca11  1  0.67824094  0.17958387  0.38851619  1.0
  Ca  Ca12  1  0.68074974  0.82515482  0.89171654  1.0
  Ca  Ca13  1  0.17958387  0.32175906  0.38851619  1.0
  Ca  Ca14  1  0.31925026  0.17484518  0.89171654  1.0
  Ca  Ca15  1  0.82041613  0.67824094  0.38851619  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75499384  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.25062602  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.74937398  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24500616  1.0
  Ga  Ga20  1  0.60941248  0.10943791  0.75078624  1.0
  Ga  Ga21  1  0.10943791  0.60941248  0.24921376  1.0
  Ga  Ga22  1  0.89056209  0.39058752  0.24921376  1.0
  Ga  Ga23  1  0.39058752  0.89056209  0.75078624  1.0
  Ga  Ga24  1  0.89056209  0.60941248  0.75078624  1.0
  Ga  Ga25  1  0.39058752  0.10943791  0.24921376  1.0
  Ga  Ga26  1  0.10943791  0.39058752  0.75078624  1.0
  Ga  Ga27  1  0.60941248  0.89056209  0.24921376  1.0
  Ga  Ga28  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn29  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn30  1  0.50000000  0.50000000  0.00000000  1.0
  Sn  Sn31  1  0.00000000  0.00000000  0.50000000  1.0